Author: tianli

Hu, Xiao-Ling published the artcileNetwork pharmacology study on mechanism of Zhen-Wu decoction for chronic heart failure treatment, Recommanded Product: 2-Phenylethanethiol, the publication is Drug Combination Therapy (2021), 3(1), 1, database is CAplus.

To explore and predict the mechanism of classic ancient prescription of Chinese medicine Zhen-Wu decoction for chronic heart failure treatment based on network pharmacol. Traditional Chinese medicine systems pharmacol. database was used to search the effective components and targets of herbs in classic ancient prescription of Chinese medicine Zhen-Wu decoction. Relevant target genes of chronic heart failure were obtained from GeneCards and Online Mendelian Inheritance in Man databases. Then we obtained the intersection target genes of classic ancient prescription of Chinese medicine Zhen-Wu decoction in treating chronic heart failure, constructing the classic ancient prescription of Chinese medicine Zhen-Wu decoction-active ingredient-chronic heart failure-targets network using Cytoscape, and performing network anal. using a network ananlyzer plug-in to acquire hub compounds and key targets. Proton pump inhibitor network was constructed through STRING database. Gene ontol. function and Kyoto Encyclopedia of Genes and Genomes pathway enrichment anal. were carried out in Database for Annotation, Visualization and Integrated Discovery. There are 61 active ingredients and 134 action targets in classic ancient prescription of Chinese medicine Zhen-Wu decoction, among which 49 target genes and 11 important compounds related to the chronic heart failure treatment. After network anal., we obtained 12 key targets, 77 gene ontol. entries and 22 signal pathways, including tumor necrosis factor signaling pathway, NF-kappaB signal pathway, PI3K-Akt signal pathway, et al. Classic ancient prescription of Chinese medicine Zhen-Wu decoction was used for chronic heart failure treatment for the multi-component, multi-target and multi-channel interaction. The components such as kaempferol and β-sitosterol were combined with target proteins such as CHRM1 and AChE, involving biol. processes such as DNA transcription regulation, cholinergic synaptic transmission and apoptosis regulation, as well as signal pathways such as tumor necrosis factor signaling pathway, NF-kappa B signal pathway, PI3K-Akt signal pathway, et al.

Drug Combination Therapy published new progress about 4410-99-5. 4410-99-5 belongs to alcohols-buliding-blocks, auxiliary class Thiol,Benzene, name is 2-Phenylethanethiol, and the molecular formula is C8H10S, Recommanded Product: 2-Phenylethanethiol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Yan, Yan published the artcileMetabolic profile and underlying antioxidant improvement of Ziziphi Spinosae Folium by human intestinal bacteria, Related Products of alcohols-buliding-blocks, the publication is Food Chemistry (2020), 126651, database is CAplus and MEDLINE.

Ziziphi Spinosae Folium, the leaf of Ziziphus jujuba Mill. Var. spinosa (Bunge) Hu ex H. F. Chou (LZJS), is currently used as a healthy tea in China. This study evaluated the chem. components and antioxidant activities of LZJS flavonoid (LZJSF) and fermented LZJSF (FLZJSF) using human intestinal bacteria (HIB) through dynamic fermentation Eighteen flavonoids were simultaneously identified in LZJSF using UHPLC-Q-Orbitrap-MS method, nine of which were targeted for a HIB metabolism study. Seven small phenolic acids were identified in FLZJSF. Not only at chem. level but also at PC12 cell level, FLZJSF samples fermented for 4 and 6 h showed significant pos. correlation between their activities and flavonoid aglycons, which were transformed from LZJSF. However, FLZJSF samples (8 h and longer time) mainly contained phenolic acids and indicated weak activities. Thus, LZJSF was found to result in increased antioxidant activity and could be com. utilized as a novel functional food.

Food Chemistry published new progress about 621-37-4. 621-37-4 belongs to alcohols-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Phenol,Natural product, name is 3-Hydroxyphenylacetic acid, and the molecular formula is C4HN5, Related Products of alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Minguez-Alarcon, Lidia published the artcilePregnancy urinary concentrations of bisphenol A, parabens and other phenols in relation to serum levels of lipid biomarkers: Results from the EARTH study, Related Products of alcohols-buliding-blocks, the publication is Science of the Total Environment (2022), 155191, database is CAplus and MEDLINE.

The epidemiol. literature on associations between urinary phenol concentrations and lipid profiles during pregnancy is limited. We examined whether urinary concentrations of phenol and phenol replacement biomarkers were associated with serum lipid levels among pregnant women. This cross-sectional study included 175 women attending the Massachusetts General Hospital Fertility Center who enrolled in the Environment and Reproductive Health (EARTH) Study between 2005 and 2017 and had data available on urinary phenol biomarkers and serum lipids during pregnancy. We used linear regression models to assess the relationship between groups of urinary phenol and phenol replacement biomarkers and serum lipid levels [total cholesterol, high d. lipoprotein (HDL), non-HDL, low-d. lipoprotein (LDL) cholesterol, and triglycerides], while adjusting for age at sample collection, pre-pregnancy BMI, education, race, infertility diagnosis, cycle type, number of fetuses, trimester and sp. gr. In adjusted models, pregnant women with urinary propylparaben concentrations in the highest tertile had 10% [22 (95% CI = 5, 40) mg/dL], 12% [19 (95% CI = 2, 36) mg/dL] and 16% [19 (95% CI = 3, 35) mg/dL] higher mean total, non-HDL and LDL cholesterol, resp., compared to women with concentrations in the lowest tertile. Similar elevations were observed for urinary bisphenol A concentrations Urinary bisphenol S, benzophenone-3, triclosan, methylparaben, ethylparaben, and butylparaben were unrelated to serum lipids. Among pregnant women, urinary concentrations of bisphenol A and propylparaben were associated with higher serum levels of total, non-HDL and LDL cholesterol.

Science of the Total Environment published new progress about 80-09-1. 80-09-1 belongs to alcohols-buliding-blocks, auxiliary class Ploymers, name is 4,4′-Sulfonyldiphenol, and the molecular formula is C12H10O4S, Related Products of alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Castineiras, Alfonso published the artcileMulticomponent Solids of DL-2-Hydroxy-2-phenylacetic Acid and Pyridinecarboxamides, Application of 2-Hydroxy-2-phenylacetic acid, the publication is Crystals (2022), 12(2), 142, database is CAplus.

We prepared cocrystals of DL-2-Hydroxy-2-phenylacetic acid (D, L-H2ma) with the pyridinecarboxamide isomers, picolinamide (pic) and isonicotinamide (inam). They were characterized by elemental anal., single crystal and powder X-ray, IR spectroscopy and ¹H and ¹³C NMR. The crystal and mol. structures of (pic)-(D-H₂ma) (1), (nam)-(L-H₂ma) (2) and (inam)-(L-H₂ma) (3) were studied. The crystal packing is stabilized primarily by hydrogen bonding and in some cases through π-πstacking interactions. The anal. of crystal structures reveals the existence of the characteristic heterosynthons with the binding motif R²₂(8) (primary amide-carboxilic acid) between pyridinecarboxamide mols. and the acid. Other synthons involve hydrogen bonds such as O-H(carboxyl)···N(pyridine) and O-H(hydroxyl)···N(pyridine) depending on the isomer. The packing of 1 and 3 is formed by tetramers, for whose formation a crystallization mechanism based on two stages is proposed, involving an amide-acid (1) or amide-amide (3) mol. recognition in the first stage and the formation of others, and interdimeric hydrogen bonding interactions in the second. The thermal stability of the cocrystals was studied by differential scanning calorimetry and thermogravimetry. Further studies were conducted to evaluate other physicochem. properties of the cocrystals in comparison to the pure coformers. D.-functional theory (DFT) calculations (including NCIplot and QTAIM analyses) were performed to further characterize and rationalize the noncovalent interactions.

Crystals published new progress about 90-64-2. 90-64-2 belongs to alcohols-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Alcohol,Natural product, name is 2-Hydroxy-2-phenylacetic acid, and the molecular formula is C8H8O3, Application of 2-Hydroxy-2-phenylacetic acid.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Cleveland, Alexander H. published the artcileSynthesis of Vicinal Dichlorides via Activation of Aliphatic Terminal Epoxides with Triphosgene and Pyridine, Recommanded Product: (R)-Oxiran-2-ylmethanol, the publication is Journal of Organic Chemistry (2018), 83(6), 3367-3377, database is CAplus and MEDLINE.

Herein we report a novel synthetic reaction to convert unactivated terminal aliphatic epoxide to alkyl vicinal dichloride based on triphosgene-pyridine activation. Our methodol. is operationally simple and readily tolerated by a broad of scope of substrates as well as protecting groups. Furthermore, these mild conditions generally yield clean reaction mixtures that are free of byproducts upon aqueous workup.

Journal of Organic Chemistry published new progress about 57044-25-4. 57044-25-4 belongs to alcohols-buliding-blocks, auxiliary class Epoxides,Chiral,Aliphatic hydrocarbon chain,Alcohol, name is (R)-Oxiran-2-ylmethanol, and the molecular formula is C3H6O2, Recommanded Product: (R)-Oxiran-2-ylmethanol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Jin, Yongdong published the artcileBacteriorhodopsin-monolayer-based planar metal-insulator-metal junctions via biomimetic vesicle fusion: preparation, characterization, and bio-optoelectronic characteristics, Related Products of alcohols-buliding-blocks, the publication is Advanced Functional Materials (2007), 17(8), 1417-1428, database is CAplus.

A reliable and reproducible method for preparing bacteriorhodopsin (bR)-containing metal-biomol.-monolayer-metal planar junctions via vesicle fusion tactics and soft deposition of Au top electrodes is reported. Optimum monolayer and junction preparations, including contact effects, are discussed. The electron-transport characteristics of bR-containing membranes are studied systematically by incorporating native bR or artificial bR pigments derived from synthetic retinal analogs, into single solid-supported lipid bilayers. Current-voltage (I-V) measurements at ambient conditions show that a single layer of such bR-containing artificial lipid bilayers pass current in solid electrode/bilayer/solid electrode structures. The current is passed only if retinal or its analog is present in the protein. Furthermore, the preparations show photoconductivity as long as the retinal can isomerize following light absorption. Optical characterization suggests that the junction photocurrents might be associated with a photochem. induced M-like intermediate of bR. I-V measurements along with theor. estimates reveal that electron transfer through the protein is over four orders of magnitude more efficient than what would be estimated for direct tunneling through 5 nm of water-free peptides. The authors’ results furthermore suggest that the light-driven proton-pumping activity of the sandwiched solid-state bR monolayer contributes negligibly to the steady-state light currents that are observed, and that the orientation of bR does not significantly affect the observed I-V characteristics.

Advanced Functional Materials published new progress about 85618-21-9. 85618-21-9 belongs to alcohols-buliding-blocks, auxiliary class Tetrahydropyran,Chiral,sulfides,Alcohol, name is (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(octylthio)tetrahydro-2H-pyran-3,4,5-triol, and the molecular formula is C14H28O5S, Related Products of alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Ryan, Timothy M. published the artcileSmall Amphipathic Molecules Modulate Secondary Structure and Amyloid Fibril-forming Kinetics of Alzheimer Disease Peptide Aβ_1-42, Application of (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(octylthio)tetrahydro-2H-pyran-3,4,5-triol, the publication is Journal of Biological Chemistry (2012), 287(20), 16947-16954, database is CAplus and MEDLINE.

Amyloid fibril formation is associated with a number of debilitating systemic and neurodegenerative diseases. One of the most prominent is Alzheimer disease in which aggregation and deposition of the Aβ peptide occur. Aβ is widely considered to mediate the extensive neuronal loss observed in this disease through the formation of soluble oligomeric species, with the final fibrillar end product of the aggregation process being relatively inert. Factors that influence the aggregation of these amyloid-forming proteins are therefore very important. The authors have screened a library of 96 amphipathic mols. for effects on Aβ_1-42 aggregation and self-association The authors find, using thioflavin T fluorescence and electron microscopy assays, that 30 of the mols. inhibit the aggregation process, whereas 36 activate fibril formation. Several activators and inhibitors were subjected to further anal. using anal. ultracentrifugation and CD. Activators typically display a 1:10 peptide:detergent stoichiometry for maximal activation, whereas the inhibitors are effective at a 1:1 stoichiometry. Anal. ultracentrifugation and CD experiments show that activators promote a mixture of unfolded and β-sheet structures and rapidly form large aggregates, whereas inhibitors induce α-helical structures that form stable dimeric/trimeric oligomers. The results suggest that Aβ_1-42 contains at least one small mol. binding site, which modulates the secondary structure and aggregation processes. Further studies of the binding of these compounds to Aβ may provide insight for developing therapeutic strategies aimed at stabilizing Aβ in a favorable conformation.

Journal of Biological Chemistry published new progress about 85618-21-9. 85618-21-9 belongs to alcohols-buliding-blocks, auxiliary class Tetrahydropyran,Chiral,sulfides,Alcohol, name is (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(octylthio)tetrahydro-2H-pyran-3,4,5-triol, and the molecular formula is C14H28O5S, Application of (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(octylthio)tetrahydro-2H-pyran-3,4,5-triol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Lynch, John K. published the artcileOptimization of Chromone-2-carboxamide Melanin Concentrating Hormone Receptor 1 Antagonists: Assessment of Potency, Efficacy, and Cardiovascular Safety, Computed Properties of 328-90-5, the publication is Journal of Medicinal Chemistry (2006), 49(22), 6569-6584, database is CAplus and MEDLINE.

Evaluation of multiple structurally distinct series of melanin concentrating hormone receptor 1 antagonists in an anesthetized rat cardiovascular assay led to the identification of a chromone-2-carboxamide series as having excellent safety against the chosen cardiovascular endpoints at high drug concentrations in the plasma and brain. Optimization of this series led to considerable improvements in affinity, functional potency, and pharmacokinetic profile. This led to the identification of a 7-fluorochromone-2-carboxamide (I) that was orally efficacious in a diet-induced obese mouse model, retained a favorable cardiovascular profile in rat, and demonstrated dramatic improvement in effects on mean arterial pressure in our dog cardiovascular model compared to other series reported by our group. However, this analog also led to prolongation of the QT interval in the dog that was linked to affinity for hERG channel and unexpectedly potent functional blockade of this ion channel.

Journal of Medicinal Chemistry published new progress about 328-90-5. 328-90-5 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Carboxylic acid,Benzene,Phenol, name is 2-Hydroxy-4-(trifluoromethyl)benzoic acid, and the molecular formula is C8H5F3O3, Computed Properties of 328-90-5.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Marcinkowska, Monika published the artcileKey Odorants of Raw and Cooked Green Kohlrabi (Brassica oleracea var. gongylodes L.), Computed Properties of 4410-99-5, the publication is Journal of Agricultural and Food Chemistry (2021), 69(41), 12270-12277, database is CAplus and MEDLINE.

Volatile compounds of raw and cooked green kohlrabi were investigated using a sensomics approach. A total of 55 odor-active compounds were detected and identified in raw and cooked green kohlrabi using GC-O. Twenty-eight odor-active compounds with high flavor dilution (FD) factors ranging from 64 to 1024 were quantitated, and odor activity values (OAVs) were determined Eight compounds showed high OAVs in raw and cooked kohlrabi: five sulfur compounds (di-Me trisulfide, Me 2-methyl-3-furyl disulfide, and three isothiocyanates (1-isothiocyanato-3-(methylsulfanyl)propane, benzyl isothiocyanate, and 1-isothiocyanato-4-(methylsulfanyl)butane)), two lipid oxidation products (1-octen-3-one and trans-4,5-epoxy-(2E)-dec-2-enal), and 2-isopropyl-3-methoxypyrazine. Among these, the sulfur compounds contributed most to the overall smell of the raw and cooked vegetables. The quantitation anal. indicates that the eight odorants are the backbone compounds for raw and cooked kohlrabi. The OAVs for the backbone compounds and also for minor odorants are clearly higher in raw kohlrabi than in the cooked one. Differences can be explained by the influence of the cooking process.

Journal of Agricultural and Food Chemistry published new progress about 4410-99-5. 4410-99-5 belongs to alcohols-buliding-blocks, auxiliary class Thiol,Benzene, name is 2-Phenylethanethiol, and the molecular formula is C8H10S, Computed Properties of 4410-99-5.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Hammerl, Richard published the artcileQuantitative Proton NMR Spectroscopy for Basic Taste Recombinant Reconstitution Using the Taste Recombinant Database, Recommanded Product: 2-Hydroxy-2-phenylacetic acid, the publication is Journal of Agricultural and Food Chemistry (2021), 69(48), 14713-14721, database is CAplus and MEDLINE.

The quant. determination of putative taste active metabolites, the ranking of these compounds in their sensory impact based on dose-overthreshold (DoT) factors, followed by confirmation of their relevance by reconstitution and omission experiments enables the decoding of the non-volatile sensometabolome of certain foods. The identification and quantitation of target taste compounds by liquid chromatog.-tandem mass spectrometry (LC-MS/MS), high-performance liquid chromatog.-UV/visible (HPLC-UV/Vis) spectroscopy, or high-performance ion chromatog. (HPIC) is often laborious and time-consuming. In this work, we present a novel quant. ¹H NMR approach for reconstituting basic taste recombinants of different foods, including apple juice, balsamic vinegar, golden chanterelles, process flavor, and shrimp. Compound identification using the taste recombinant database, followed by absolute quantitation via quant. ¹H NMR (qHNMR), enables a fast and direct reconstitution of basic taste recombinants. The taste profile anal. of basic taste recombinants was generated via qHNMR in less than 15 min and compared with literature data acquired by LC-MS/MS and/or HPLC-UV/Vis and revealed identical results for all taste qualities. A determination of limit of detection (LoD) values for S/N = 50 of various proton signals with different integrals and multiplicities demonstrated that taste recognition thresholds of all basic tastants are far above those of LoD concentrations under the chosen conditions. Therefore, our exptl. setup is able to detect basic taste-active compounds well below their taste recognition thresholds.

Journal of Agricultural and Food Chemistry published new progress about 90-64-2. 90-64-2 belongs to alcohols-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Alcohol,Natural product, name is 2-Hydroxy-2-phenylacetic acid, and the molecular formula is C8H8O3, Recommanded Product: 2-Hydroxy-2-phenylacetic acid.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts